4-Hydroxy-2,5-dimethylphenyl-benzophenone: Conformational stability, FT-IR and Raman investigation

► Conformational stability, FT-IR and Raman investigation of 4-hydroxy-2,5-dimethylphenyl-benzophenone was performed. ► The transition states were analyzed with MP2 and DFT methods, employing 6-311++G(d,p) and 6-311++G(3df,3pd) basis set. ► The enthalpy formation was calculated at G3(MP2) level.